6-[(Z)-2-[5-(4-bromophenyl)furan-2-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
Molecular Formula : C16H10N3O5Br | Mutagenic : low | Tumorigenic : high | Reproductive Effective : none |6-[(Z)-2-[5-(4-bromophenyl)furan-2-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.
MolName : 6-[(Z)-2-[5-(4-bromophenyl)furan-2-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione |
MolecularFormula : C16H10N3O5Br |
Smiles : [O-][N+](C(C(N1)=O)=C(/C=C\c2ccc(-c(cc3)ccc3Br)o2)NC1=O)=O |
InChI : InChI=1S/C16H10BrN3O5/c17-10-3-1-9(2-4-10)13-8-6-11(25-13)5-7-12-14(20(23)24)15(21)19-16(22)18-12/h1-8H,(H2,18,19,21,22) |
InChIK : FTMHUVKYFDNPNO-UHFFFAOYSA-N |
TotalMolweight : 404.175 |
Molweight : 404.175 |
MonoisotopicMass : 402.980383 |
CLogP : 1.9601 |
CLogS : -5.7 |
H Acceptors : 8 |
H Donors : 2 |
TotalSurfaceArea : 259.35 |
Relative PSA : 0.36063 |
PolarSurfaceArea : 117.16 |
Druglikeness : -3.4076 |
Mutagenic : low |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.56 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
Amides : 2 |
AcidicOxygens : 1 |
StereoCon : |